Elucidation of penetration mechanisms of surface-functionalized gold nanoparticles into lipid bilayer

在这项研究中，分子动力学模拟的相互作用的烷硫醇功能化的金纳米粒子与脂质双层（生物细胞膜的模型）进行。特别是，表面电荷的影响，链烷醇的碳链的长度，以及脂质双层的组成和结构进行了分析。从分子水平上阐明了金纳米粒子的表面性质对其在模型细胞膜上的粘附和渗透机制的影响。还发现脂质双层的更真实的结构高度诱导纳米颗粒自发渗透穿过整个脂质双层。

In this study, molecular dynamics simulations of interaction of alkanethiol-functionalized gold nanoparticles with lipid bilayer (model of a biological cell membrane) were conducted. In particular, effects of surface charge, length of a carbon chain of the alkanethiol, and composition and structure of the lipid bilayer were analyzed. As a result, effects of surface properties of the gold nanoparticles on their adhesion and penetration mechanism into the model cell membrane at molecular level were elucidated. It was also found that more realistic structure of the lipid bilayer highly induces spontaneous permeation of nanoparticles across the whole lipid bilayer.